SCHEMBL26856987

SCHEMBL26856987

Nc1nc2ccc(-c3csc(C(=O)NCc4cccnc4)c3)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 2/20 0.46
▸ PIK3CD O00329 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ MMP12 P39900 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ MARK3 P27448 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26856882 0.90 MMP12 (0.53) PIK3CGPIK3CDTSHRMMP12ROCK2
SCHEMBL26856951 0.85 ADORA2A (0.43) PIK3CGPIK3CDMMP12ROCK2ROCK1
SCHEMBL26857017 0.85 MAPK1 (0.46) PIK3CGPIK3CDMMP12ROCK2ROCK1
SCHEMBL26856949 0.85 MAPK1 (0.47) PIK3CGPIK3CDMMP12ROCK2ROCK1
SCHEMBL26857184 0.85 MMP12 (0.44) PIK3CGPIK3CDMMP12ROCK2ROCK1
SCHEMBL26857070 0.84 PIK3CG (0.47) PIK3CGPIK3CDMMP12MAPK1MMP13
SCHEMBL26857050 0.84 MMP12 (0.47) PIK3CGPIK3CDMMP12LMNAALDH1A1
SCHEMBL26857044 0.84 MMP12 (0.42) PIK3CGPIK3CDMMP12ROCK2ROCK1
SCHEMBL26857153 0.84 MMP12 (0.42) PIK3CGPIK3CDMMP12MAPK1PIK3CA
SCHEMBL26857094 0.84 MARK3 (0.44) PIK3CGPIK3CDMMP12ROCK2ROCK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382904-A1 SUBSTITUTED 4-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-11-30 — — US disclosed
US-20230382904-A1 SUBSTITUTED 4-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-11-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230382904-A1 SUBSTITUTED 4-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF SNCA, PSEN2, PARK7 PIK3CG 690/4885PIK3CD 1085/4885TSHR 1230/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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